(2-chloranylquinolin-3-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (2-chloro-3-quinolyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-chloro-3-quinolyl)methyl ester Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O4/c18-16-12(7-10-3-1-2-4-14(10)20-16)9-25-17(22)11-5-6-13(19)15(8-11)21(23)24/h1-8H,9,19H2